#------------------------------------------------------------------------------
#$Date: 2022-03-05 01:57:10 +0200 (Sat, 05 Mar 2022) $
#$Revision: 273445 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/96/7709653.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7709653
loop_
_publ_author_name
'Drescher, Wiebke'
'Kleeberg, Christian'
_publ_section_title
;
 Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a
 case study
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT04276A
_journal_year                    2022
_chemical_formula_moiety         'C24 H60 B2 O4 P4 Rh, C32 H12 B F24'
_chemical_formula_sum            'C56 H72 B3 F24 O4 P4 Rh'
_chemical_formula_weight         1524.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-12-20 deposited with the CCDC.	2022-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.690(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.7869(7)
_cell_length_b                   13.4146(3)
_cell_length_c                   24.8701(8)
_cell_measurement_reflns_used    75899
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.5760
_cell_measurement_theta_min      2.8100
_cell_volume                     6656.1(4)
_computing_cell_refinement
;
 CrysAlisPro 1.171.40.50a (Rigaku Oxford Diffraction, 2019)
;
_computing_data_collection
;
 CrysAlisPro 1.171.40.50a (Rigaku Oxford Diffraction, 2019)
;
_computing_data_reduction
;
 CrysAlisPro 1.171.40.50a (Rigaku Oxford Diffraction, 2019)
;
_computing_molecular_graphics
;
 K. Brandenburg, 2017, Diamond 4.4.1, Crystal Impact GbR, Bonn, Germany.
;
_computing_publication_material
;
 WinGX v2014.1 (L. J. Farrugia, J. Appl. Cryst., 2012, 45, 849-854.)
;
_computing_structure_refinement
;
 SHELXL-2018/3 (G. M. Sheldrick, Acta Cryst., 2015, C71, 3-8)
;
_computing_structure_solution
;
 SHELXT (Ver. 2014/5) (G. M. Sheldrick, Acta Cryst., 2015, A71, 3-8)
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at offset/far, HyPix'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0893
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            260578
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.493
_diffrn_reflns_theta_min         2.544
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.463
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70536
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 CrysAlisPro 1.171.40.50a (Rigaku Oxford Diffraction, 2019)
 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.

 Empirical correction (ABSPACK) includes:
 - Absorption correction using spherical harmonics
 - Frame scaling
 - Detector area scaling
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_description       'fragment of plate'
_exptl_crystal_F_000             3104
_exptl_crystal_recrystallization_method
;
 From a solution in THF layered with n-pentane at -40°C.
;
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.163
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.103
_refine_diff_density_min         -1.599
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     877
_refine_ls_number_reflns         20196
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0184P)²+21.6285P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1274
_refine_ls_wR_factor_ref         0.1323
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16699
_reflns_number_total             20196
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt04276a2.cif
_cod_data_source_block           wo111wo
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7709653
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.77623(2) 0.24278(2) 0.55388(2) 0.01670(5) Uani 1 1 d . . . . .
P1 P 0.73367(4) 0.10739(6) 0.48789(4) 0.02531(16) Uani 1 1 d . . . . .
P2 P 0.84361(4) 0.13478(6) 0.63462(3) 0.02206(15) Uani 1 1 d . . . . .
P3 P 0.80858(4) 0.39147(6) 0.60825(3) 0.02224(15) Uani 1 1 d . . . . .
P4 P 0.66992(4) 0.24808(7) 0.56554(4) 0.02643(17) Uani 1 1 d . . . . .
F1 F 0.65105(10) 0.50564(16) 0.14962(9) 0.0335(4) Uani 1 1 d . . . . .
F2 F 0.61173(13) 0.42166(15) 0.20213(9) 0.0410(5) Uani 1 1 d . . . . .
F3 F 0.54540(10) 0.50840(16) 0.12921(9) 0.0336(4) Uani 1 1 d . . . . .
F4 F 0.76778(11) 0.7793(2) 0.36773(10) 0.0486(6) Uani 1 1 d . . . . .
F5 F 0.80180(10) 0.72504(19) 0.30354(11) 0.0450(6) Uani 1 1 d . . . . .
F6 F 0.74889(11) 0.86286(18) 0.28989(12) 0.0493(6) Uani 1 1 d . . . . .
F7 F 0.4482(5) 0.4024(4) 0.3226(2) 0.063(3) Uani 0.70(2) 1 d . . P A 1
F8 F 0.4719(3) 0.3993(4) 0.4129(3) 0.053(2) Uani 0.70(2) 1 d . . P A 1
F9 F 0.3824(3) 0.4677(3) 0.3558(6) 0.070(3) Uani 0.70(2) 1 d . . P A 1
F7A F 0.4813(8) 0.3834(8) 0.3583(18) 0.108(13) Uani 0.30(2) 1 d . . P A 2
F8A F 0.4376(18) 0.433(2) 0.4135(7) 0.110(13) Uani 0.30(2) 1 d . . P A 2
F9A F 0.3913(8) 0.4508(11) 0.3232(7) 0.062(8) Uani 0.30(2) 1 d . . P A 2
F10 F 0.64613(13) 0.7763(2) 0.49157(10) 0.0586(8) Uani 1 1 d . . . . .
F11 F 0.62680(13) 0.64849(18) 0.53079(9) 0.0493(6) Uani 1 1 d . . . . .
F12 F 0.56262(13) 0.7725(2) 0.51624(11) 0.0625(9) Uani 1 1 d . . . . .
F13 F 0.24827(10) 0.65383(19) 0.21825(9) 0.0389(5) Uani 1 1 d . . . . .
F14 F 0.19070(10) 0.7099(3) 0.13252(10) 0.0610(9) Uani 1 1 d . . . . .
F15 F 0.23413(14) 0.8094(2) 0.20574(16) 0.0655(8) Uani 1 1 d . . . . .
F16 F 0.39788(12) 0.66905(16) 0.03624(9) 0.0381(5) Uani 1 1 d . . . . .
F17 F 0.30081(11) 0.7360(2) 0.00261(9) 0.0530(7) Uani 1 1 d . . . . .
F18 F 0.38935(12) 0.82755(16) 0.03338(9) 0.0372(5) Uani 1 1 d . . . . .
F19 F 0.38553(11) 1.04382(17) 0.34175(11) 0.0433(5) Uani 1 1 d . . . . .
F20 F 0.43647(18) 1.17955(17) 0.34424(17) 0.0745(10) Uani 1 1 d . . . . .
F21 F 0.47998(14) 1.0668(3) 0.41087(11) 0.0669(9) Uani 1 1 d . . . . .
F22 F 0.58716(12) 1.07058(16) 0.18845(9) 0.0396(5) Uani 1 1 d . . . . .
F23 F 0.57541(12) 1.20207(15) 0.23327(11) 0.0412(5) Uani 1 1 d . . . . .
F24 F 0.65523(11) 1.09962(18) 0.27708(11) 0.0429(5) Uani 1 1 d . . . . .
O1 O 0.77869(12) 0.42741(17) 0.47832(10) 0.0286(5) Uani 1 1 d . . . . .
O2 O 0.69649(12) 0.31803(19) 0.42703(10) 0.0317(5) Uani 1 1 d . . . . .
O3 O 0.92593(11) 0.27022(17) 0.57390(10) 0.0258(4) Uani 1 1 d . . . . .
O4 O 0.86129(11) 0.23389(19) 0.47902(10) 0.0294(5) Uani 1 1 d . . . . .
C1 C 0.74180(19) 0.4748(2) 0.42093(14) 0.0299(7) Uani 1 1 d . . . . .
C2 C 0.69953(17) 0.3867(3) 0.38264(14) 0.0279(6) Uani 1 1 d . . . . .
C3 C 0.6991(2) 0.5580(3) 0.42989(19) 0.0444(10) Uani 1 1 d . . . . .
H H 0.668351 0.529849 0.445785 0.067 Uiso 1 1 calc R U . . .
HA H 0.673263 0.590303 0.392180 0.067 Uiso 1 1 calc R U . . .
HB H 0.728271 0.607223 0.457478 0.067 Uiso 1 1 calc R U . . .
C4 C 0.7933(2) 0.5185(3) 0.40095(16) 0.0379(8) Uani 1 1 d . . . . .
HC H 0.817193 0.573002 0.427264 0.057 Uiso 1 1 calc R U . . .
HD H 0.770722 0.544038 0.360839 0.057 Uiso 1 1 calc R U . . .
HE H 0.825375 0.466577 0.401818 0.057 Uiso 1 1 calc R U . . .
C5 C 0.6283(2) 0.4132(4) 0.34233(17) 0.0456(10) Uani 1 1 d . . . . .
HF H 0.605141 0.353459 0.321131 0.068 Uiso 1 1 calc R U . . .
HG H 0.628795 0.463857 0.314137 0.068 Uiso 1 1 calc R U . . .
HH H 0.604773 0.439383 0.365640 0.068 Uiso 1 1 calc R U . . .
C6 C 0.7342(2) 0.3321(3) 0.34924(16) 0.0383(8) Uani 1 1 d . . . . .
HI H 0.779891 0.314332 0.376271 0.058 Uiso 1 1 calc R U . . .
HJ H 0.736072 0.375318 0.318153 0.058 Uiso 1 1 calc R U . . .
HK H 0.709192 0.271347 0.331727 0.058 Uiso 1 1 calc R U . . .
C7 C 0.96968(16) 0.2840(2) 0.54208(14) 0.0259(6) Uani 1 1 d . . . . .
C8 C 0.93077(17) 0.2270(3) 0.48431(15) 0.0296(7) Uani 1 1 d . . . . .
C9 C 1.03797(16) 0.2438(3) 0.57926(15) 0.0295(6) Uani 1 1 d . . . . .
HL H 1.058810 0.285382 0.614334 0.044 Uiso 1 1 calc R U . . .
HM H 1.065875 0.244392 0.556657 0.044 Uiso 1 1 calc R U . . .
HN H 1.033786 0.175260 0.591051 0.044 Uiso 1 1 calc R U . . .
C10 C 0.97413(19) 0.3956(3) 0.53206(18) 0.0352(8) Uani 1 1 d . . . . .
HO H 0.929352 0.421510 0.508072 0.053 Uiso 1 1 calc R U . . .
HP H 1.003813 0.406869 0.511693 0.053 Uiso 1 1 calc R U . . .
HQ H 0.992096 0.430184 0.569972 0.053 Uiso 1 1 calc R U . . .
C11 C 0.95054(19) 0.1167(3) 0.48914(17) 0.0355(8) Uani 1 1 d . . . . .
HR H 0.946609 0.087590 0.523751 0.053 Uiso 1 1 calc R U . . .
HS H 0.996930 0.110756 0.492935 0.053 Uiso 1 1 calc R U . . .
HT H 0.920713 0.081352 0.453827 0.053 Uiso 1 1 calc R U . . .
C12 C 0.93239(19) 0.2709(3) 0.42874(16) 0.0382(8) Uani 1 1 d . . . . .
HU H 0.901709 0.233596 0.394648 0.057 Uiso 1 1 calc R U . . .
HV H 0.978017 0.266470 0.430396 0.057 Uiso 1 1 calc R U . . .
HW H 0.918501 0.340894 0.425248 0.057 Uiso 1 1 calc R U . . .
C13 C 0.7767(2) 0.0609(3) 0.44430(19) 0.0446(10) Uani 1 1 d . . . . .
HX H 0.781574 0.114739 0.419668 0.067 Uiso 1 1 calc R U . . .
HY H 0.750758 0.006310 0.419264 0.067 Uiso 1 1 calc R U . . .
HZ H 0.821142 0.036385 0.470295 0.067 Uiso 1 1 calc R U . . .
C14 C 0.7227(2) -0.0107(3) 0.52081(18) 0.0426(9) Uani 1 1 d . . . . .
H1 H 0.766659 -0.036286 0.547259 0.064 Uiso 1 1 calc R U . . .
H2 H 0.700677 -0.059540 0.489661 0.064 Uiso 1 1 calc R U . . .
H3 H 0.695033 0.000796 0.543001 0.064 Uiso 1 1 calc R U . . .
C15 C 0.64979(18) 0.1180(3) 0.42894(16) 0.0371(8) Uani 1 1 d . . . . .
H4 H 0.619652 0.150305 0.444125 0.056 Uiso 1 1 calc R U . . .
H5 H 0.632743 0.051387 0.414329 0.056 Uiso 1 1 calc R U . . .
H6 H 0.652095 0.158038 0.396843 0.056 Uiso 1 1 calc R U . . .
C16 C 0.8894(2) 0.0375(3) 0.61472(18) 0.0394(9) Uani 1 1 d . . . . .
H7 H 0.860725 0.009544 0.576410 0.059 Uiso 1 1 calc R U . . .
H8 H 0.902192 -0.015292 0.644433 0.059 Uiso 1 1 calc R U . . .
H9 H 0.929737 0.066178 0.612640 0.059 Uiso 1 1 calc R U . . .
C17 C 0.91624(19) 0.1851(3) 0.69546(17) 0.0395(9) Uani 1 1 d . . . . .
H10 H 0.939815 0.232141 0.680303 0.059 Uiso 1 1 calc R U . . .
H11 H 0.946523 0.130507 0.715927 0.059 Uiso 1 1 calc R U . . .
H12 H 0.901403 0.219608 0.722867 0.059 Uiso 1 1 calc R U . . .
C18 C 0.8040(2) 0.0649(3) 0.67526(18) 0.0409(9) Uani 1 1 d . . . . .
H13 H 0.788714 0.111272 0.697749 0.061 Uiso 1 1 calc R U . . .
H14 H 0.836465 0.018200 0.702184 0.061 Uiso 1 1 calc R U . . .
H15 H 0.765531 0.027686 0.647611 0.061 Uiso 1 1 calc R U . . .
C19 C 0.88244(18) 0.4595(3) 0.61300(16) 0.0316(7) Uani 1 1 d . . . . .
H16 H 0.921777 0.415968 0.629268 0.047 Uiso 1 1 calc R U . . .
H17 H 0.888822 0.517587 0.638582 0.047 Uiso 1 1 calc R U . . .
H18 H 0.876674 0.481707 0.573716 0.047 Uiso 1 1 calc R U . . .
C20 C 0.82684(19) 0.3845(3) 0.68744(14) 0.0337(7) Uani 1 1 d . . . . .
H19 H 0.802575 0.328075 0.694660 0.051 Uiso 1 1 calc R U . . .
H20 H 0.812534 0.446408 0.699869 0.051 Uiso 1 1 calc R U . . .
H21 H 0.875109 0.375223 0.709792 0.051 Uiso 1 1 calc R U . . .
C21 C 0.74792(18) 0.4931(3) 0.58714(15) 0.0315(7) Uani 1 1 d . . . . .
H22 H 0.736720 0.511132 0.546087 0.047 Uiso 1 1 calc R U . . .
H23 H 0.767203 0.550945 0.612327 0.047 Uiso 1 1 calc R U . . .
H24 H 0.707227 0.471732 0.591646 0.047 Uiso 1 1 calc R U . . .
C22 C 0.6190(2) 0.1373(3) 0.5593(2) 0.0444(10) Uani 1 1 d . . . . .
H25 H 0.605231 0.108868 0.519865 0.067 Uiso 1 1 calc R U . . .
H27 H 0.579135 0.155463 0.566094 0.067 Uiso 1 1 calc R U . . .
H29 H 0.645260 0.087950 0.588564 0.067 Uiso 1 1 calc R U . . .
C23 C 0.66735(19) 0.2926(3) 0.63448(16) 0.0369(8) Uani 1 1 d . . . . .
H31 H 0.693224 0.247348 0.666502 0.055 Uiso 1 1 calc R U . . .
H32 H 0.620753 0.294636 0.630499 0.055 Uiso 1 1 calc R U . . .
H33 H 0.686701 0.359691 0.643198 0.055 Uiso 1 1 calc R U . . .
C24 C 0.60739(17) 0.3292(3) 0.51202(16) 0.0384(9) Uani 1 1 d . . . . .
H35 H 0.624285 0.397770 0.517058 0.058 Uiso 1 1 calc R U . . .
H37 H 0.565714 0.326913 0.518174 0.058 Uiso 1 1 calc R U . . .
H39 H 0.598716 0.306296 0.472205 0.058 Uiso 1 1 calc R U . . .
C25 C 0.56540(13) 0.7177(2) 0.25721(11) 0.0150(5) Uani 1 1 d . . . . .
C26 C 0.56055(13) 0.6351(2) 0.22100(12) 0.0170(5) Uani 1 1 d . . . . .
H26 H 0.518091 0.604403 0.201123 0.020 Uiso 1 1 calc R U . . .
C27 C 0.61571(14) 0.5968(2) 0.21322(12) 0.0186(5) Uani 1 1 d . . . . .
C28 C 0.67901(14) 0.6378(2) 0.24211(13) 0.0210(5) Uani 1 1 d . . . . .
H28 H 0.716639 0.612333 0.236396 0.025 Uiso 1 1 calc R U . . .
C29 C 0.68541(14) 0.7176(2) 0.27977(12) 0.0191(5) Uani 1 1 d . . . . .
C30 C 0.63015(13) 0.7556(2) 0.28739(12) 0.0180(5) Uani 1 1 d . . . . .
H30 H 0.636488 0.809314 0.314015 0.022 Uiso 1 1 calc R U . . .
C31 C 0.60644(16) 0.5082(2) 0.17386(13) 0.0245(6) Uani 1 1 d . . . . .
C32 C 0.75151(15) 0.7702(3) 0.31050(15) 0.0282(7) Uani 1 1 d . . . . .
C33 C 0.50367(13) 0.7031(2) 0.32607(11) 0.0150(5) Uani 1 1 d . . . . .
C34 C 0.47364(13) 0.6098(2) 0.32289(12) 0.0175(5) Uani 1 1 d . . . . .
H34 H 0.446693 0.583144 0.285384 0.021 Uiso 1 1 calc R U . . .
C35 C 0.48191(14) 0.5546(2) 0.37291(13) 0.0190(5) Uani 1 1 d . . . . .
C36 C 0.52172(14) 0.5893(2) 0.42846(12) 0.0206(5) Uani 1 1 d . . . . .
H36 H 0.527731 0.551345 0.462465 0.025 Uiso 1 1 calc R U . . .
C37 C 0.55273(14) 0.6816(2) 0.43303(12) 0.0191(5) Uani 1 1 d . . . . .
C38 C 0.54353(13) 0.7367(2) 0.38307(12) 0.0182(5) Uani 1 1 d . . . . .
H38 H 0.565028 0.799680 0.387595 0.022 Uiso 1 1 calc R U . . .
C39 C 0.44685(16) 0.4562(2) 0.36630(14) 0.0267(6) Uani 1 1 d . . . . .
C40 C 0.59618(15) 0.7212(2) 0.49246(13) 0.0253(6) Uani 1 1 d . . . . .
C41 C 0.42992(13) 0.74751(19) 0.21114(11) 0.0155(5) Uani 1 1 d . . . . .
C42 C 0.36913(13) 0.7395(2) 0.21773(11) 0.0170(5) Uani 1 1 d . . . . .
H42 H 0.370026 0.737980 0.256223 0.020 Uiso 1 1 calc R U . . .
C43 C 0.30748(13) 0.7338(2) 0.16990(12) 0.0177(5) Uani 1 1 d . . . . .
C44 C 0.30351(13) 0.7357(2) 0.11261(12) 0.0184(5) Uani 1 1 d . . . . .
H44 H 0.261610 0.731101 0.079888 0.022 Uiso 1 1 calc R U . . .
C45 C 0.36305(14) 0.7447(2) 0.10509(12) 0.0191(5) Uani 1 1 d . . . . .
C46 C 0.42465(13) 0.7511(2) 0.15305(11) 0.0169(5) Uani 1 1 d . . . . .
H46 H 0.464293 0.758134 0.146179 0.020 Uiso 1 1 calc R U . . .
C47 C 0.24512(15) 0.7269(3) 0.18093(14) 0.0265(6) Uani 1 1 d . . . . .
C48 C 0.36210(15) 0.7449(3) 0.04431(13) 0.0259(6) Uani 1 1 d . . . . .
C49 C 0.50776(13) 0.8838(2) 0.27871(11) 0.0166(5) Uani 1 1 d . . . . .
C50 C 0.47606(14) 0.9324(2) 0.31009(12) 0.0195(5) Uani 1 1 d . . . . .
H50 H 0.451300 0.894232 0.326678 0.023 Uiso 1 1 calc R U . . .
C51 C 0.47967(15) 1.0358(2) 0.31783(13) 0.0210(5) Uani 1 1 d . . . . .
C52 C 0.51572(14) 1.0947(2) 0.29464(13) 0.0216(6) Uani 1 1 d . . . . .
H52 H 0.519087 1.164735 0.300603 0.026 Uiso 1 1 calc R U . . .
C53 C 0.54654(14) 1.0474(2) 0.26252(12) 0.0196(5) Uani 1 1 d . . . . .
C54 C 0.54215(14) 0.9447(2) 0.25411(12) 0.0181(5) Uani 1 1 d . . . . .
H54 H 0.562997 0.914913 0.231091 0.022 Uiso 1 1 calc R U . . .
C55 C 0.44594(19) 1.0825(3) 0.35365(17) 0.0326(7) Uani 1 1 d . . . . .
C56 C 0.59031(17) 1.1052(2) 0.24013(14) 0.0264(6) Uani 1 1 d . . . . .
B1 B 0.74731(17) 0.3380(3) 0.48030(15) 0.0226(6) Uani 1 1 d . . . . .
B2 B 0.86077(16) 0.2498(2) 0.53301(14) 0.0200(6) Uani 1 1 d . . . . .
B3 B 0.50121(14) 0.7627(2) 0.26792(12) 0.0142(5) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B2 Rh1 B1 75.25(13) . . ?
B2 Rh1 P3 90.82(9) . . ?
B1 Rh1 P3 84.34(10) . . ?
B2 Rh1 P1 90.06(9) . . ?
B1 Rh1 P1 88.04(10) . . ?
P3 Rh1 P1 171.85(3) . . ?
B2 Rh1 P2 86.13(9) . . ?
B1 Rh1 P2 161.36(10) . . ?
P3 Rh1 P2 95.07(3) . . ?
P1 Rh1 P2 93.07(3) . . ?
B2 Rh1 P4 171.98(9) . . ?
B1 Rh1 P4 96.78(9) . . ?
P3 Rh1 P4 89.22(3) . . ?
P1 Rh1 P4 88.78(3) . . ?
P2 Rh1 P4 101.85(3) . . ?
C13 P1 C15 97.9(2) . . ?
C13 P1 C14 99.2(2) . . ?
C15 P1 C14 99.03(17) . . ?
C13 P1 Rh1 121.79(13) . . ?
C15 P1 Rh1 118.75(14) . . ?
C14 P1 Rh1 115.82(14) . . ?
C17 P2 C16 95.91(19) . . ?
C17 P2 C18 100.14(19) . . ?
C16 P2 C18 102.3(2) . . ?
C17 P2 Rh1 119.96(13) . . ?
C16 P2 Rh1 114.56(13) . . ?
C18 P2 Rh1 119.94(13) . . ?
C19 P3 C21 99.46(17) . . ?
C19 P3 C20 98.67(18) . . ?
C21 P3 C20 99.54(16) . . ?
C19 P3 Rh1 121.15(12) . . ?
C21 P3 Rh1 116.95(12) . . ?
C20 P3 Rh1 117.11(13) . . ?
C22 P4 C24 100.0(2) . . ?
C22 P4 C23 95.7(2) . . ?
C24 P4 C23 101.08(18) . . ?
C22 P4 Rh1 122.57(15) . . ?
C24 P4 Rh1 113.20(12) . . ?
C23 P4 Rh1 120.33(13) . . ?
B1 O1 C1 108.8(3) . . ?
B1 O2 C2 110.1(3) . . ?
B2 O3 C7 108.6(2) . . ?
B2 O4 C8 109.7(2) . . ?
O1 C1 C4 107.3(3) . . ?
O1 C1 C3 107.6(3) . . ?
C4 C1 C3 109.9(3) . . ?
O1 C1 C2 102.8(2) . . ?
C4 C1 C2 115.1(3) . . ?
C3 C1 C2 113.4(3) . . ?
O2 C2 C5 107.6(3) . . ?
O2 C2 C6 107.1(3) . . ?
C5 C2 C6 110.8(3) . . ?
O2 C2 C1 102.2(2) . . ?
C5 C2 C1 114.9(3) . . ?
C6 C2 C1 113.4(3) . . ?
C1 C3 H 109.5 . . ?
C1 C3 HA 109.5 . . ?
H C3 HA 109.5 . . ?
C1 C3 HB 109.5 . . ?
H C3 HB 109.5 . . ?
HA C3 HB 109.5 . . ?
C1 C4 HC 109.5 . . ?
C1 C4 HD 109.5 . . ?
HC C4 HD 109.5 . . ?
C1 C4 HE 109.5 . . ?
HC C4 HE 109.5 . . ?
HD C4 HE 109.5 . . ?
C2 C5 HF 109.5 . . ?
C2 C5 HG 109.5 . . ?
HF C5 HG 109.5 . . ?
C2 C5 HH 109.5 . . ?
HF C5 HH 109.5 . . ?
HG C5 HH 109.5 . . ?
C2 C6 HI 109.5 . . ?
C2 C6 HJ 109.5 . . ?
HI C6 HJ 109.5 . . ?
C2 C6 HK 109.5 . . ?
HI C6 HK 109.5 . . ?
HJ C6 HK 109.5 . . ?
O3 C7 C9 108.6(3) . . ?
O3 C7 C10 107.9(3) . . ?
C9 C7 C10 109.9(3) . . ?
O3 C7 C8 101.8(2) . . ?
C9 C7 C8 115.6(3) . . ?
C10 C7 C8 112.4(3) . . ?
O4 C8 C12 107.2(3) . . ?
O4 C8 C11 108.3(3) . . ?
C12 C8 C11 109.7(3) . . ?
O4 C8 C7 102.3(2) . . ?
C12 C8 C7 116.8(3) . . ?
C11 C8 C7 111.9(3) . . ?
C7 C9 HL 109.5 . . ?
C7 C9 HM 109.5 . . ?
HL C9 HM 109.5 . . ?
C7 C9 HN 109.5 . . ?
HL C9 HN 109.5 . . ?
HM C9 HN 109.5 . . ?
C7 C10 HO 109.5 . . ?
C7 C10 HP 109.5 . . ?
HO C10 HP 109.5 . . ?
C7 C10 HQ 109.5 . . ?
HO C10 HQ 109.5 . . ?
HP C10 HQ 109.5 . . ?
C8 C11 HR 109.5 . . ?
C8 C11 HS 109.5 . . ?
HR C11 HS 109.5 . . ?
C8 C11 HT 109.5 . . ?
HR C11 HT 109.5 . . ?
HS C11 HT 109.5 . . ?
C8 C12 HU 109.5 . . ?
C8 C12 HV 109.5 . . ?
HU C12 HV 109.5 . . ?
C8 C12 HW 109.5 . . ?
HU C12 HW 109.5 . . ?
HV C12 HW 109.5 . . ?
P1 C13 HX 109.5 . . ?
P1 C13 HY 109.5 . . ?
HX C13 HY 109.5 . . ?
P1 C13 HZ 109.5 . . ?
HX C13 HZ 109.5 . . ?
HY C13 HZ 109.5 . . ?
P1 C14 H1 109.5 . . ?
P1 C14 H2 109.5 . . ?
H1 C14 H2 109.5 . . ?
P1 C14 H3 109.5 . . ?
H1 C14 H3 109.5 . . ?
H2 C14 H3 109.5 . . ?
P1 C15 H4 109.5 . . ?
P1 C15 H5 109.5 . . ?
H4 C15 H5 109.5 . . ?
P1 C15 H6 109.5 . . ?
H4 C15 H6 109.5 . . ?
H5 C15 H6 109.5 . . ?
P2 C16 H7 109.5 . . ?
P2 C16 H8 109.5 . . ?
H7 C16 H8 109.5 . . ?
P2 C16 H9 109.5 . . ?
H7 C16 H9 109.5 . . ?
H8 C16 H9 109.5 . . ?
P2 C17 H10 109.5 . . ?
P2 C17 H11 109.5 . . ?
H10 C17 H11 109.5 . . ?
P2 C17 H12 109.5 . . ?
H10 C17 H12 109.5 . . ?
H11 C17 H12 109.5 . . ?
P2 C18 H13 109.5 . . ?
P2 C18 H14 109.5 . . ?
H13 C18 H14 109.5 . . ?
P2 C18 H15 109.5 . . ?
H13 C18 H15 109.5 . . ?
H14 C18 H15 109.5 . . ?
P3 C19 H16 109.5 . . ?
P3 C19 H17 109.5 . . ?
H16 C19 H17 109.5 . . ?
P3 C19 H18 109.5 . . ?
H16 C19 H18 109.5 . . ?
H17 C19 H18 109.5 . . ?
P3 C20 H19 109.5 . . ?
P3 C20 H20 109.5 . . ?
H19 C20 H20 109.5 . . ?
P3 C20 H21 109.5 . . ?
H19 C20 H21 109.5 . . ?
H20 C20 H21 109.5 . . ?
P3 C21 H22 109.5 . . ?
P3 C21 H23 109.5 . . ?
H22 C21 H23 109.5 . . ?
P3 C21 H24 109.5 . . ?
H22 C21 H24 109.5 . . ?
H23 C21 H24 109.5 . . ?
P4 C22 H25 109.5 . . ?
P4 C22 H27 109.5 . . ?
H25 C22 H27 109.5 . . ?
P4 C22 H29 109.5 . . ?
H25 C22 H29 109.5 . . ?
H27 C22 H29 109.5 . . ?
P4 C23 H31 109.5 . . ?
P4 C23 H32 109.5 . . ?
H31 C23 H32 109.5 . . ?
P4 C23 H33 109.5 . . ?
H31 C23 H33 109.5 . . ?
H32 C23 H33 109.5 . . ?
P4 C24 H35 109.5 . . ?
P4 C24 H37 109.5 . . ?
H35 C24 H37 109.5 . . ?
P4 C24 H39 109.5 . . ?
H35 C24 H39 109.5 . . ?
H37 C24 H39 109.5 . . ?
C30 C25 C26 115.5(2) . . ?
C30 C25 B3 121.4(2) . . ?
C26 C25 B3 123.0(2) . . ?
C27 C26 C25 122.3(3) . . ?
C27 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
C28 C27 C26 121.1(3) . . ?
C28 C27 C31 119.8(3) . . ?
C26 C27 C31 119.1(3) . . ?
C27 C28 C29 117.6(3) . . ?
C27 C28 H28 121.2 . . ?
C29 C28 H28 121.2 . . ?
C30 C29 C28 121.1(3) . . ?
C30 C29 C32 117.6(3) . . ?
C28 C29 C32 121.2(3) . . ?
C29 C30 C25 122.4(3) . . ?
C29 C30 H30 118.8 . . ?
C25 C30 H30 118.8 . . ?
F1 C31 F2 106.9(3) . . ?
F1 C31 F3 106.5(2) . . ?
F2 C31 F3 106.4(3) . . ?
F1 C31 C27 112.6(3) . . ?
F2 C31 C27 112.6(2) . . ?
F3 C31 C27 111.5(2) . . ?
F5 C32 F4 107.7(3) . . ?
F5 C32 F6 106.6(3) . . ?
F4 C32 F6 106.1(3) . . ?
F5 C32 C29 113.1(3) . . ?
F4 C32 C29 112.1(3) . . ?
F6 C32 C29 110.8(3) . . ?
C34 C33 C38 115.4(2) . . ?
C34 C33 B3 122.6(2) . . ?
C38 C33 B3 121.5(2) . . ?
C35 C34 C33 122.3(3) . . ?
C35 C34 H34 118.9 . . ?
C33 C34 H34 118.9 . . ?
C36 C35 C34 121.0(3) . . ?
C36 C35 C39 119.5(3) . . ?
C34 C35 C39 119.4(3) . . ?
C35 C36 C37 118.0(3) . . ?
C35 C36 H36 121.0 . . ?
C37 C36 H36 121.0 . . ?
C38 C37 C36 120.6(3) . . ?
C38 C37 C40 120.1(3) . . ?
C36 C37 C40 119.3(3) . . ?
C37 C38 C33 122.6(3) . . ?
C37 C38 H38 118.7 . . ?
C33 C38 H38 118.7 . . ?
F9A C39 F7A 104.1(11) . . ?
F9A C39 F8A 108.2(11) . . ?
F7A C39 F8A 105.7(13) . . ?
F8 C39 F7 105.8(4) . . ?
F8 C39 F9 105.8(5) . . ?
F7 C39 F9 105.9(5) . . ?
F9A C39 C35 114.7(5) . . ?
F7A C39 C35 112.3(6) . . ?
F8A C39 C35 111.3(7) . . ?
F8 C39 C35 113.7(4) . . ?
F7 C39 C35 113.1(3) . . ?
F9 C39 C35 111.8(3) . . ?
F12 C40 F10 109.1(3) . . ?
F12 C40 F11 105.7(3) . . ?
F10 C40 F11 103.9(3) . . ?
F12 C40 C37 112.8(3) . . ?
F10 C40 C37 112.3(3) . . ?
F11 C40 C37 112.4(3) . . ?
C42 C41 C46 115.6(2) . . ?
C42 C41 B3 121.4(2) . . ?
C46 C41 B3 122.7(2) . . ?
C43 C42 C41 122.4(2) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C44 C43 C42 121.0(2) . . ?
C44 C43 C47 120.1(2) . . ?
C42 C43 C47 118.9(2) . . ?
C45 C44 C43 117.5(2) . . ?
C45 C44 H44 121.2 . . ?
C43 C44 H44 121.2 . . ?
C44 C45 C46 121.4(2) . . ?
C44 C45 C48 120.0(2) . . ?
C46 C45 C48 118.7(2) . . ?
C45 C46 C41 122.1(2) . . ?
C45 C46 H46 119.0 . . ?
C41 C46 H46 119.0 . . ?
F14 C47 F13 106.5(3) . . ?
F14 C47 F15 107.5(3) . . ?
F13 C47 F15 104.9(3) . . ?
F14 C47 C43 113.0(3) . . ?
F13 C47 C43 112.2(3) . . ?
F15 C47 C43 112.3(3) . . ?
F17 C48 F18 107.8(3) . . ?
F17 C48 F16 106.1(3) . . ?
F18 C48 F16 105.4(3) . . ?
F17 C48 C45 112.9(3) . . ?
F18 C48 C45 112.2(3) . . ?
F16 C48 C45 112.0(3) . . ?
C50 C49 C54 116.3(3) . . ?
C50 C49 B3 121.6(2) . . ?
C54 C49 B3 122.0(2) . . ?
C49 C50 C51 121.9(3) . . ?
C49 C50 H50 119.1 . . ?
C51 C50 H50 119.1 . . ?
C52 C51 C50 121.0(3) . . ?
C52 C51 C55 120.1(3) . . ?
C50 C51 C55 118.8(3) . . ?
C53 C52 C51 117.7(3) . . ?
C53 C52 H52 121.2 . . ?
C51 C52 H52 121.2 . . ?
C52 C53 C54 121.3(3) . . ?
C52 C53 C56 120.4(3) . . ?
C54 C53 C56 118.1(3) . . ?
C53 C54 C49 121.8(3) . . ?
C53 C54 H54 119.1 . . ?
C49 C54 H54 119.1 . . ?
F20 C55 F21 109.0(3) . . ?
F20 C55 F19 105.9(3) . . ?
F21 C55 F19 104.6(3) . . ?
F20 C55 C51 112.6(3) . . ?
F21 C55 C51 111.9(3) . . ?
F19 C55 C51 112.4(3) . . ?
F23 C56 F22 107.3(3) . . ?
F23 C56 F24 106.0(3) . . ?
F22 C56 F24 105.7(3) . . ?
F23 C56 C53 113.1(3) . . ?
F22 C56 C53 112.5(3) . . ?
F24 C56 C53 111.7(3) . . ?
O2 B1 O1 110.6(3) . . ?
O2 B1 Rh1 124.4(2) . . ?
O1 B1 Rh1 124.9(2) . . ?
O4 B2 O3 109.8(3) . . ?
O4 B2 Rh1 126.1(2) . . ?
O3 B2 Rh1 124.1(2) . . ?
C33 B3 C41 112.6(2) . . ?
C33 B3 C25 103.7(2) . . ?
C41 B3 C25 112.9(2) . . ?
C33 B3 C49 111.7(2) . . ?
C41 B3 C49 104.7(2) . . ?
C25 B3 C49 111.5(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 B2 2.107(3) . ?
Rh1 B1 2.109(3) . ?
Rh1 P3 2.3534(8) . ?
Rh1 P1 2.3724(8) . ?
Rh1 P2 2.4325(8) . ?
Rh1 P4 2.4483(8) . ?
P1 C13 1.806(4) . ?
P1 C15 1.832(4) . ?
P1 C14 1.842(4) . ?
P2 C17 1.823(4) . ?
P2 C16 1.827(4) . ?
P2 C18 1.830(4) . ?
P3 C19 1.812(4) . ?
P3 C21 1.823(3) . ?
P3 C20 1.848(3) . ?
P4 C22 1.824(4) . ?
P4 C24 1.832(4) . ?
P4 C23 1.838(4) . ?
F1 C31 1.334(4) . ?
F2 C31 1.338(4) . ?
F3 C31 1.347(4) . ?
F4 C32 1.327(4) . ?
F5 C32 1.323(4) . ?
F6 C32 1.337(4) . ?
F7 C39 1.316(6) . ?
F8 C39 1.311(6) . ?
F9 C39 1.331(5) . ?
F7A C39 1.295(14) . ?
F8A C39 1.306(13) . ?
F9A C39 1.256(10) . ?
F10 C40 1.322(4) . ?
F11 C40 1.340(4) . ?
F12 C40 1.306(4) . ?
F13 C47 1.332(4) . ?
F14 C47 1.327(4) . ?
F15 C47 1.335(4) . ?
F16 C48 1.345(4) . ?
F17 C48 1.327(4) . ?
F18 C48 1.336(4) . ?
F19 C55 1.333(4) . ?
F20 C55 1.324(4) . ?
F21 C55 1.331(5) . ?
F22 C56 1.342(4) . ?
F23 C56 1.334(4) . ?
F24 C56 1.344(4) . ?
O1 B1 1.392(4) . ?
O1 C1 1.472(4) . ?
O2 B1 1.369(4) . ?
O2 C2 1.460(4) . ?
O3 B2 1.402(4) . ?
O3 C7 1.475(4) . ?
O4 B2 1.364(4) . ?
O4 C8 1.469(4) . ?
C1 C4 1.516(5) . ?
C1 C3 1.525(5) . ?
C1 C2 1.565(5) . ?
C2 C5 1.513(5) . ?
C2 C6 1.518(5) . ?
C3 H 0.9800 . ?
C3 HA 0.9800 . ?
C3 HB 0.9800 . ?
C4 HC 0.9800 . ?
C4 HD 0.9800 . ?
C4 HE 0.9800 . ?
C5 HF 0.9800 . ?
C5 HG 0.9800 . ?
C5 HH 0.9800 . ?
C6 HI 0.9800 . ?
C6 HJ 0.9800 . ?
C6 HK 0.9800 . ?
C7 C9 1.502(4) . ?
C7 C10 1.527(5) . ?
C7 C8 1.546(5) . ?
C8 C12 1.515(5) . ?
C8 C11 1.532(5) . ?
C9 HL 0.9800 . ?
C9 HM 0.9800 . ?
C9 HN 0.9800 . ?
C10 HO 0.9800 . ?
C10 HP 0.9800 . ?
C10 HQ 0.9800 . ?
C11 HR 0.9800 . ?
C11 HS 0.9800 . ?
C11 HT 0.9800 . ?
C12 HU 0.9800 . ?
C12 HV 0.9800 . ?
C12 HW 0.9800 . ?
C13 HX 0.9800 . ?
C13 HY 0.9800 . ?
C13 HZ 0.9800 . ?
C14 H1 0.9800 . ?
C14 H2 0.9800 . ?
C14 H3 0.9800 . ?
C15 H4 0.9800 . ?
C15 H5 0.9800 . ?
C15 H6 0.9800 . ?
C16 H7 0.9800 . ?
C16 H8 0.9800 . ?
C16 H9 0.9800 . ?
C17 H10 0.9800 . ?
C17 H11 0.9800 . ?
C17 H12 0.9800 . ?
C18 H13 0.9800 . ?
C18 H14 0.9800 . ?
C18 H15 0.9800 . ?
C19 H16 0.9800 . ?
C19 H17 0.9800 . ?
C19 H18 0.9800 . ?
C20 H19 0.9800 . ?
C20 H20 0.9800 . ?
C20 H21 0.9800 . ?
C21 H22 0.9800 . ?
C21 H23 0.9800 . ?
C21 H24 0.9800 . ?
C22 H25 0.9800 . ?
C22 H27 0.9800 . ?
C22 H29 0.9800 . ?
C23 H31 0.9800 . ?
C23 H32 0.9800 . ?
C23 H33 0.9800 . ?
C24 H35 0.9800 . ?
C24 H37 0.9800 . ?
C24 H39 0.9800 . ?
C25 C30 1.401(4) . ?
C25 C26 1.404(4) . ?
C25 B3 1.640(4) . ?
C26 C27 1.390(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(4) . ?
C27 C31 1.500(4) . ?
C28 C29 1.392(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(4) . ?
C29 C32 1.507(4) . ?
C30 H30 0.9500 . ?
C33 C34 1.400(4) . ?
C33 C38 1.406(4) . ?
C33 B3 1.634(4) . ?
C34 C35 1.396(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.384(4) . ?
C35 C39 1.500(4) . ?
C36 C37 1.393(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.390(4) . ?
C37 C40 1.496(4) . ?
C38 H38 0.9500 . ?
C41 C42 1.402(4) . ?
C41 C46 1.403(4) . ?
C41 B3 1.639(4) . ?
C42 C43 1.393(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.392(4) . ?
C43 C47 1.493(4) . ?
C44 C45 1.388(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.395(4) . ?
C45 C48 1.504(4) . ?
C46 H46 0.9500 . ?
C49 C50 1.395(4) . ?
C49 C54 1.404(4) . ?
C49 B3 1.644(4) . ?
C50 C51 1.398(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.392(4) . ?
C51 C55 1.501(4) . ?
C52 C53 1.386(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.391(4) . ?
C53 C56 1.499(4) . ?
C54 H54 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 O1 C1 C4 -139.5(3) . . . . ?
B1 O1 C1 C3 102.2(3) . . . . ?
B1 O1 C1 C2 -17.8(3) . . . . ?
B1 O2 C2 C5 -142.1(3) . . . . ?
B1 O2 C2 C6 98.7(3) . . . . ?
B1 O2 C2 C1 -20.7(3) . . . . ?
O1 C1 C2 O2 22.6(3) . . . . ?
C4 C1 C2 O2 138.9(3) . . . . ?
C3 C1 C2 O2 -93.3(3) . . . . ?
O1 C1 C2 C5 138.8(3) . . . . ?
C4 C1 C2 C5 -104.9(4) . . . . ?
C3 C1 C2 C5 23.0(4) . . . . ?
O1 C1 C2 C6 -92.3(3) . . . . ?
C4 C1 C2 C6 24.0(4) . . . . ?
C3 C1 C2 C6 151.8(3) . . . . ?
B2 O3 C7 C9 -145.3(3) . . . . ?
B2 O3 C7 C10 95.6(3) . . . . ?
B2 O3 C7 C8 -22.9(3) . . . . ?
B2 O4 C8 C12 -146.5(3) . . . . ?
B2 O4 C8 C11 95.2(3) . . . . ?
B2 O4 C8 C7 -23.1(3) . . . . ?
O3 C7 C8 O4 26.9(3) . . . . ?
C9 C7 C8 O4 144.4(3) . . . . ?
C10 C7 C8 O4 -88.3(3) . . . . ?
O3 C7 C8 C12 143.5(3) . . . . ?
C9 C7 C8 C12 -99.0(4) . . . . ?
C10 C7 C8 C12 28.3(4) . . . . ?
O3 C7 C8 C11 -88.9(3) . . . . ?
C9 C7 C8 C11 28.6(4) . . . . ?
C10 C7 C8 C11 155.9(3) . . . . ?
C30 C25 C26 C27 -3.2(4) . . . . ?
B3 C25 C26 C27 -178.8(2) . . . . ?
C25 C26 C27 C28 1.2(4) . . . . ?
C25 C26 C27 C31 179.9(3) . . . . ?
C26 C27 C28 C29 1.0(4) . . . . ?
C31 C27 C28 C29 -177.7(3) . . . . ?
C27 C28 C29 C30 -1.0(4) . . . . ?
C27 C28 C29 C32 -176.8(3) . . . . ?
C28 C29 C30 C25 -1.2(4) . . . . ?
C32 C29 C30 C25 174.8(3) . . . . ?
C26 C25 C30 C29 3.2(4) . . . . ?
B3 C25 C30 C29 178.9(2) . . . . ?
C28 C27 C31 F1 -29.2(4) . . . . ?
C26 C27 C31 F1 152.1(3) . . . . ?
C28 C27 C31 F2 91.7(3) . . . . ?
C26 C27 C31 F2 -87.0(3) . . . . ?
C28 C27 C31 F3 -148.8(3) . . . . ?
C26 C27 C31 F3 32.5(4) . . . . ?
C30 C29 C32 F5 176.1(3) . . . . ?
C28 C29 C32 F5 -7.9(4) . . . . ?
C30 C29 C32 F4 54.0(4) . . . . ?
C28 C29 C32 F4 -130.0(3) . . . . ?
C30 C29 C32 F6 -64.2(4) . . . . ?
C28 C29 C32 F6 111.7(3) . . . . ?
C38 C33 C34 C35 0.9(4) . . . . ?
B3 C33 C34 C35 173.0(2) . . . . ?
C33 C34 C35 C36 -1.3(4) . . . . ?
C33 C34 C35 C39 178.5(3) . . . . ?
C34 C35 C36 C37 0.7(4) . . . . ?
C39 C35 C36 C37 -179.1(3) . . . . ?
C35 C36 C37 C38 0.2(4) . . . . ?
C35 C36 C37 C40 -179.9(3) . . . . ?
C36 C37 C38 C33 -0.5(4) . . . . ?
C40 C37 C38 C33 179.6(3) . . . . ?
C34 C33 C38 C37 0.0(4) . . . . ?
B3 C33 C38 C37 -172.2(3) . . . . ?
C36 C35 C39 F9A 147.8(14) . . . . ?
C34 C35 C39 F9A -32.0(15) . . . . ?
C36 C35 C39 F7A -94(2) . . . . ?
C34 C35 C39 F7A 87(2) . . . . ?
C36 C35 C39 F8A 25(2) . . . . ?
C34 C35 C39 F8A -155(2) . . . . ?
C36 C35 C39 F8 -18.1(6) . . . . ?
C34 C35 C39 F8 162.1(5) . . . . ?
C36 C35 C39 F7 -138.9(6) . . . . ?
C34 C35 C39 F7 41.3(6) . . . . ?
C36 C35 C39 F9 101.6(7) . . . . ?
C34 C35 C39 F9 -78.1(7) . . . . ?
C38 C37 C40 F12 91.8(4) . . . . ?
C36 C37 C40 F12 -88.1(4) . . . . ?
C38 C37 C40 F10 -32.1(4) . . . . ?
C36 C37 C40 F10 148.0(3) . . . . ?
C38 C37 C40 F11 -148.8(3) . . . . ?
C36 C37 C40 F11 31.2(4) . . . . ?
C46 C41 C42 C43 1.1(4) . . . . ?
B3 C41 C42 C43 175.3(3) . . . . ?
C41 C42 C43 C44 0.0(4) . . . . ?
C41 C42 C43 C47 -179.2(3) . . . . ?
C42 C43 C44 C45 -0.7(4) . . . . ?
C47 C43 C44 C45 178.5(3) . . . . ?
C43 C44 C45 C46 0.3(4) . . . . ?
C43 C44 C45 C48 178.6(3) . . . . ?
C44 C45 C46 C41 0.9(4) . . . . ?
C48 C45 C46 C41 -177.5(3) . . . . ?
C42 C41 C46 C45 -1.5(4) . . . . ?
B3 C41 C46 C45 -175.7(3) . . . . ?
C44 C43 C47 F14 8.4(4) . . . . ?
C42 C43 C47 F14 -172.5(3) . . . . ?
C44 C43 C47 F13 128.8(3) . . . . ?
C42 C43 C47 F13 -52.0(4) . . . . ?
C44 C43 C47 F15 -113.4(3) . . . . ?
C42 C43 C47 F15 65.8(4) . . . . ?
C44 C45 C48 F17 0.0(4) . . . . ?
C46 C45 C48 F17 178.4(3) . . . . ?
C44 C45 C48 F18 122.1(3) . . . . ?
C46 C45 C48 F18 -59.5(4) . . . . ?
C44 C45 C48 F16 -119.6(3) . . . . ?
C46 C45 C48 F16 58.8(4) . . . . ?
C54 C49 C50 C51 -1.5(4) . . . . ?
B3 C49 C50 C51 -177.9(2) . . . . ?
C49 C50 C51 C52 -0.4(4) . . . . ?
C49 C50 C51 C55 -178.2(3) . . . . ?
C50 C51 C52 C53 1.4(4) . . . . ?
C55 C51 C52 C53 179.2(3) . . . . ?
C51 C52 C53 C54 -0.5(4) . . . . ?
C51 C52 C53 C56 -175.4(3) . . . . ?
C52 C53 C54 C49 -1.5(4) . . . . ?
C56 C53 C54 C49 173.6(3) . . . . ?
C50 C49 C54 C53 2.4(4) . . . . ?
B3 C49 C54 C53 178.8(2) . . . . ?
C52 C51 C55 F20 20.1(5) . . . . ?
C50 C51 C55 F20 -162.1(3) . . . . ?
C52 C51 C55 F21 -103.0(4) . . . . ?
C50 C51 C55 F21 74.8(4) . . . . ?
C52 C51 C55 F19 139.6(3) . . . . ?
C50 C51 C55 F19 -42.6(4) . . . . ?
C52 C53 C56 F23 -24.9(4) . . . . ?
C54 C53 C56 F23 160.0(3) . . . . ?
C52 C53 C56 F22 -146.7(3) . . . . ?
C54 C53 C56 F22 38.2(4) . . . . ?
C52 C53 C56 F24 94.6(3) . . . . ?
C54 C53 C56 F24 -80.4(3) . . . . ?
C2 O2 B1 O1 10.5(4) . . . . ?
C2 O2 B1 Rh1 -167.1(2) . . . . ?
C1 O1 B1 O2 5.6(4) . . . . ?
C1 O1 B1 Rh1 -176.8(2) . . . . ?
C8 O4 B2 O3 9.5(3) . . . . ?
C8 O4 B2 Rh1 -169.5(2) . . . . ?
C7 O3 B2 O4 9.5(3) . . . . ?
C7 O3 B2 Rh1 -171.5(2) . . . . ?
C34 C33 B3 C41 36.3(3) . . . . ?
C38 C33 B3 C41 -152.0(2) . . . . ?
C34 C33 B3 C25 -86.1(3) . . . . ?
C38 C33 B3 C25 85.6(3) . . . . ?
C34 C33 B3 C49 153.8(2) . . . . ?
C38 C33 B3 C49 -34.6(3) . . . . ?
C42 C41 B3 C33 35.1(3) . . . . ?
C46 C41 B3 C33 -151.1(2) . . . . ?
C42 C41 B3 C25 152.1(2) . . . . ?
C46 C41 B3 C25 -34.1(3) . . . . ?
C42 C41 B3 C49 -86.4(3) . . . . ?
C46 C41 B3 C49 87.4(3) . . . . ?
C30 C25 B3 C33 -83.9(3) . . . . ?
C26 C25 B3 C33 91.4(3) . . . . ?
C30 C25 B3 C41 153.8(2) . . . . ?
C26 C25 B3 C41 -30.8(3) . . . . ?
C30 C25 B3 C49 36.3(3) . . . . ?
C26 C25 B3 C49 -148.3(2) . . . . ?
C50 C49 B3 C33 -39.4(3) . . . . ?
C54 C49 B3 C33 144.4(2) . . . . ?
C50 C49 B3 C41 82.8(3) . . . . ?
C54 C49 B3 C41 -93.4(3) . . . . ?
C50 C49 B3 C25 -154.8(2) . . . . ?
C54 C49 B3 C25 28.9(3) . . . . ?
